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Revealing cytotoxic substructures in molecules using deep learning
In drug development, late stage toxicity issues of a compound are the main cause of failure in clinical trials. In silico methods are therefore of high importance to guide the early design process to reduce time, costs and animal testing. Technical advances and the ever growing amount of available t...
Guardado en:
| Publicado en: | J Comput Aided Mol Des |
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| Autores principales: | , , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7292813/ https://ncbi.nlm.nih.gov/pubmed/32297073 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00310-4 |
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